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	hartrees
Energy at 0K	-312.804458
Energy at 298.15K	-312.811841
HF Energy	-311.808732
Nuclear repulsion energy	231.364955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3535	112.97
2	A	3762	3505	41.19
3	A	3660	3409	34.07
4	A	1732	1613	233.94
5	A	1676	1562	66.25
6	A	1566	1459	36.88
7	A	1458	1358	13.91
8	A	1362	1269	10.29
9	A	1186	1105	11.84
10	A	1151	1072	9.79
11	A	1121	1044	8.85
12	A	1100	1025	26.16
13	A	1036	965	3.12
14	A	796	741	164.59
15	A	747	695	6.06
16	A	719	670	3.14
17	A	690	643	124.26
18	A	506	471	82.72
19	A	394	367	13.30
20	A	309	288	3.23
21	A	232	216	53.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.619	-0.048	-0.003
H2	-0.005	2.006	-0.089
N3	0.196	1.027	-0.006
N4	1.481	0.578	0.006
N5	1.419	-0.698	0.010
N6	0.124	-1.133	0.011
H7	-2.434	0.697	0.511
H8	-2.416	-0.900	0.022
N9	-1.996	0.010	-0.081

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1457	1.3494	2.1914	2.1391	1.3152	2.0281	1.9883	1.3802
H2	2.1457		1.0029	2.0620	3.0568	3.1431	2.8241	3.7773	2.8191
N3	1.3494	1.0029		1.3602	2.1137	2.1611	2.7011	3.2459	2.4178
N4	2.1914	2.0620	1.3602		1.2775	2.1840	3.9490	4.1674	3.5238
N5	2.1391	3.0568	2.1137	1.2775		1.3662	4.1281	3.8401	3.4887
N6	1.3152	3.1431	2.1611	2.1840	1.3662		3.1848	2.5505	2.4105
H7	2.0281	2.8241	2.7011	3.9490	4.1281	3.1848		1.6701	1.0068
H8	1.9883	3.7773	3.2459	4.1674	3.8401	2.5505	1.6701		1.0075
N9	1.3802	2.8191	2.4178	3.5238	3.4887	2.4105	1.0068	1.0075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	131.041	C1	N3	N4	107.948
C1	N6	N5	105.822	C1	N9	H7	115.451
C1	N9	H8	111.808	H2	N3	N4	120.779
N3	C1	N6	108.391	N3	C1	N9	124.684
N3	N4	N5	106.475	N4	N5	N6	111.362
N6	C1	N9	126.824	H7	N9	H8	112.014

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3N5 (5-Aminotetrazole)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)